Back to Search
1,1′-Oxybis[4-Methylbenzene]
CAS: 1579-40-4 | C14H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1579-40-4
Molecular Formula:
C14H14O
Molecular Mass:
198.26 g/mol
Names and Synonyms:
1,1′-Oxybis[4-Methylbenzene]
Benzene, 1,1′-oxybis[4-methyl-
p-Tolyl ether
1,1′-Oxybis[4-methylbenzene]
4,4′-Dimethyldiphenyl ether
Di-p-Tolyl ether
Bis(4-methylphenyl) ether
p-(p-Tolyloxy)toluene
1-Methyl-4-(4-methylphenoxy)benzene
Identifiers:
SMILES:
Cc1ccc(Oc2ccc(C)cc2)cc1
InChI:
InChI=1S/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3
Key Properties
Boiling Point
285 °C
CAS Common Chemistry
Melting Point
51 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.26 g/mol | CAS Common Chemistry |
| 198.26500000000001 g/mol | RDKit | |
| 198.104465068 g/mol | RDKit | |
| Boiling Point | 285 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)C)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YWYHGNUFMPSTTR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 51 °C | CAS Common Chemistry |
| Name | 1,1′-Oxybis[4-methylbenzene] | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 4.095740000000003 | RDKit |
| Molar Refractivity | 62.43200000000004 | RDKit |
